%chk=000260470.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260470

0 1
S -4.885105 -0.050310 0.712210
O 1.963844 0.861485 1.149969
O 2.716237 1.801241 -1.858723
O 2.350363 -1.603595 -1.372291
O 4.147596 -1.934687 1.758605
N -0.113336 1.372048 0.172850
N -2.253541 1.966971 0.783798
N -0.577023 -1.037684 -0.422542
N -2.914347 -1.609697 -0.108925
C 1.885482 0.807538 -1.257230
C 1.353267 1.497417 0.027121
C 2.738794 -0.391876 -0.756578
C 2.524050 -0.432935 0.776275
C 3.807551 -0.556434 1.606884
C -0.915315 0.237822 0.019809
C -0.993856 2.398080 0.665470
C -2.244303 0.622481 0.391929
C -3.322208 -0.318300 0.335760
C -1.589410 -1.902939 -0.461909
C -3.931394 -2.686746 -0.197961
H 1.093959 0.487607 -1.967696
H 1.647949 2.576264 0.101298
H 3.805843 -0.281689 -1.055557
H 1.781222 -1.210656 1.067364
H 3.636029 -0.213874 2.649700
H 4.655760 0.003221 1.177322
H 2.937260 1.546646 -2.782612
H 1.399100 -1.816893 -1.172300
H -0.633584 3.393288 0.892109
H 4.348126 -2.338827 0.885814
H -1.369414 -2.931534 -0.799687
H -4.743937 -2.397041 -0.896015
H -4.403827 -2.857437 0.791845
H -3.493332 -3.634156 -0.543609


%chk=000260470-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260470

0 1
S -4.905983 -0.104739 0.801080
O 2.126301 1.137391 1.108841
O 2.864281 1.826070 -1.861412
O 2.065669 -1.662044 -1.196078
O 4.023482 -2.066592 1.552329
N -0.109800 1.380107 0.152475
N -2.245310 1.934356 0.805911
N -0.517908 -1.017594 -0.457527
N -2.822295 -1.656204 -0.115014
C 1.922410 0.869566 -1.273682
C 1.348036 1.596312 -0.036044
C 2.618123 -0.414211 -0.700515
C 2.496819 -0.280255 0.852928
C 3.786106 -0.617953 1.607529
C -0.893591 0.231888 -0.002815
C -0.984267 2.365065 0.652237
C -2.208476 0.592971 0.399927
C -3.284752 -0.368262 0.362022
C -1.515391 -1.905819 -0.487484
C -3.813586 -2.755819 -0.202081
H 1.142934 0.585411 -2.006998
H 1.501534 2.683766 -0.114650
H 3.680457 -0.406628 -1.004920
H 1.687509 -0.947205 1.214469
H 3.689648 -0.375216 2.677740
H 4.638208 -0.046143 1.184753
H 3.309528 1.407401 -2.640660
H 1.072662 -1.613894 -0.977808
H -0.634809 3.369565 0.882322
H 3.863180 -2.392790 0.627972
H -1.294321 -2.918587 -0.832815
H -4.635061 -2.461618 -0.875308
H -4.249107 -2.940997 0.793246
H -3.313730 -3.662499 -0.577470


